Molecule

ID:128716

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₅
Molecular Mass
304.3377
Exact Mass
304.13107374
Charge
0
InChI
InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1
InChIKey
VPOVFCBNUOUZGG-VAKDEWRISA-N
Canonic Smiles
O=CC[C@H](/C(=C\C)/C=O)CC(=O)OCCc1ccc(cc1)O
Isomeric Smiles
O=CC[C@H](/C(=C\C)/C=O)CC(=O)OCCc1ccc(O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.83
LogD (pH = 5.5)
1.83
Log P
1.83
Rotatable Bonds
10
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
9.50
Polar Surface Area
80.67
Polarizability
31.68
Molar Refractivity
83.27
LOG S
-1.22
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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